Re: use of berendsenPressure during heating

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri Jan 23 2009 - 12:22:10 CST

Hi Falgun,
I'm afraid I'm a bit confused by your question. Are you asking if it is
ok to use the two different pressure control methods (Berendsen or
Nose-Hoover Langevin Piston) at different steps of your system setup?
Best,
Peter

Falgun Shah wrote:
> Dear NAMD user
>
> Is it okay to use berendsen Pressure during heating and constant
> pressure using langevin Piston for equilibration (NPT ensembles). Your
> reply would be greatly appreciated.
>
> --
> Falgun H shah
> PhD candidate (3rd year)
> Department of Medicinal Chemistry
> 2028, Natural Product Center
> University of Mississippi
>
> Ph No: 6629151286(O)
> 662 801 5667(M)
> email: fhshah_at_olemiss.edu <mailto:fhshah_at_olemiss.edu>

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